Geometry & MOs

Info

ID:

434959

PubChem CID:

135176064

Reduced:

SN2O4F5C30H35 (1)

Stoich.:

AB2C4D5E30F35 (1)

Weight, g/mol:

697.185862

ΔHf, kcal/mol:

-403.65

Dipole, Da:

7.66

IP(EA), eV:

 -9.28(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(5-chlorothiophen-2-yl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)COC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C(=O)C3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)C(F)(F)F)(F)F

DOS

IR

Vibrations